Chemicals, plastics and rubber industries

Drying and hydrophobic collapse of paraffin plates

Article Abstract:

Molecular dynamics simulations of the hydrophobic collapse of two paraffin plates was performed to examine the way the collapse is mediated by realistic paraffin-water attractive van der Waals forces. Several aspects of the drying transition between the plates are explored, including the critical separation for drying and the critical size of the vapor bubble required for the nucleation of the drying event.

Dynamics of water confined in the interdomain region of a multidomain protein

Article Abstract:

Molecular dynamics simulations are performed to study the dynamics of interfacial water confined in the interdomain region of a two-domain protein, BphC enzyme. The results show that near the protein surface the water diffusion constant is much smaller and the water-water hydrogen bond lifetime is much longer than that in bulk.